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fleur
fleur
Commits
6865931e
Commit
6865931e
authored
Aug 03, 2017
by
Gregor Michalicek
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Another small fix in cdn_mt/cdnmt.f90 for older compilers
parent
8e8a0307
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1
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cdn_mt/cdnmt.f90
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cdn_mt/cdnmt.f90
View file @
6865931e
...
...
@@ -81,14 +81,8 @@ CONTAINS
!
CALL
timestart
(
"cdnmt"
)
!$OMP PARALLEL DEFAULT(none) &
!$OMP SHARED(usdus,rho,chmom,clmom,qa21,rho21) &
!$OMP SHARED(atoms,jsp_start,jsp_end,epar,vr,uu,dd,du,sphhar,uloulopn,ello,aclo,bclo,cclo) &
!$OMP SHARED(acnmt,bcnmt,ccnmt,orb,orbl,orblo,ddnmt,udnmt,dunmt,uunmt,mt21,lo21,uloulop21)&
!$OMP SHARED(uloulopn21,noco,l_fmpl,uunmt21,ddnmt21,dunmt21,udnmt21,jspd)&
!$OMP PRIVATE(itype,na,ispin,l,f,g,nodeu,noded,wronk,i,j,s,qmtllo,qmtt,qmtl,nd,lh,lp,llp,cs)
IF
(
noco
%
l_mperp
)
THEN
ALLOCATE
(
f
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jspd
),
g
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jspd
)
)
ALLOCATE
(
usdus
%
us
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jspd
),
usdus
%
uds
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jspd
)
)
ALLOCATE
(
usdus
%
dus
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jspd
),
usdus
%
duds
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jspd
)
)
ALLOCATE
(
usdus
%
ddn
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jspd
)
)
...
...
@@ -97,16 +91,26 @@ CONTAINS
rho21
(:,:,:)
=
cmplx
(
0.0
,
0.0
)
ENDIF
ELSE
ALLOCATE
(
f
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
g
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
usdus
%
us
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
usdus
%
uds
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
usdus
%
dus
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
usdus
%
duds
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
usdus
%
ddn
(
0
:
atoms
%
lmaxd
,
atoms
%
ntype
,
jsp_start
:
jsp_end
)
)
ENDIF
!$OMP PARALLEL DEFAULT(none) &
!$OMP SHARED(usdus,rho,chmom,clmom,qa21,rho21) &
!$OMP SHARED(atoms,jsp_start,jsp_end,epar,vr,uu,dd,du,sphhar,uloulopn,ello,aclo,bclo,cclo) &
!$OMP SHARED(acnmt,bcnmt,ccnmt,orb,orbl,orblo,ddnmt,udnmt,dunmt,uunmt,mt21,lo21,uloulop21)&
!$OMP SHARED(uloulopn21,noco,l_fmpl,uunmt21,ddnmt21,dunmt21,udnmt21,jspd)&
!$OMP PRIVATE(itype,na,ispin,l,f,g,nodeu,noded,wronk,i,j,s,qmtllo,qmtt,qmtl,nd,lh,lp,llp,cs)
IF
(
noco
%
l_mperp
)
THEN
ALLOCATE
(
f
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jspd
),
g
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jspd
)
)
ELSE
ALLOCATE
(
f
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jsp_start
:
jsp_end
)
)
ALLOCATE
(
g
(
atoms
%
jmtd
,
2
,
0
:
atoms
%
lmaxd
,
jsp_start
:
jsp_end
)
)
ENDIF
qmtl
=
0
!$OMP DO
...
...
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